N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C11H21F3N2O2 — CID 103806894

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-10(4-2,7-15)16-9(17)5-6-18-8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,17)
InChIKeyPRXHPOMCYKDVHY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.59
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103806894) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103806894
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-10(4-2,7-15)16-9(17)5-6-18-8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,17)
InChIKeyPRXHPOMCYKDVHY-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208340
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43500828
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806941
N-(1,3-dibromo-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212608
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxypropanamide;hydrochloride
CID 119569284
N-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxy)propanamide
CID 82724826
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[3-(aminomethyl)pentan-3-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 119569293
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
CID 119571336

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103806894) is N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide is CCC(CC)(CN)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PRXHPOMCYKDVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-10(4-2,7-15)16-9(17)5-6-18-8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 270.29 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103806894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).